Iron D-gluconate dihydrate - Reagent grade, ≥98% , CAS No.22830-45-1

CAS: 22830-45-1 Cat. No.: I113739 Peso molecular: 482.17 Beilstein Registry Number: 3(4)1256 Número EC: 206-076-3 PubChem CID: 443752

GRADE & PURITY Reagent Grade, ≥98%

Synonyms

Iron(II) gluconate hydrate | Iron(ii)gluconate hydrate | iron(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate | iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;hydrate | A878426 | PD057339 | Iron(II)gluconatehydrate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Iron(II) gluconate hydrate | Iron(ii)gluconate hydrate | iron(2+);(2R, 3S, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexanoate;hydrate | iron;(2R, 3S, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexanoic acid;hydrate | A878426 | PD057339 | Iron(II)gluconatehydrate

Especificaciones y pureza

Reagent grade, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Reagent Grade

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758808
• Sonrisas canónicas: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.[Fe+2]
• IUPAC Name: iron(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate
• InChIKey: BJBSKTPEFSQVHL-XRDLMGPZSA-L
• INCHI: 1S/2C6H12O7.Fe.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1
• Isómeros SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Fe+2]
• WGK Alemania: 2
• RTECS: LZ5180000
• CAS alternativo: 299-29-6
• PubChem CID: 443752
• Peso molecular: 482.17
• Beilstein: 3(4)1256

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Monosaccharides Secondary alcohols Carboxylic acid salts Polyols Organic transition metal salts Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic zwitterions Carbonyl compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic transition metal salt - Monocarboxylic acid or derivatives - Polyol - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Insoluble in Ethanol
• Rotación específica [α]: 10° (C=1,H2O)
• Punto de fusión (°C): 188°C
• Peso molecular: 464.150 g/mol
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 464.046 Da
• Monoisotopic Mass: 464.046 Da
• Topological Polar Surface Area: 284.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

Referencias

1. Haoyang Wu, Zhilong Tan, Bin Miao, Hailong Hu, Sanying Hou.  (2022)  Hierarchical porous graphite-like carbon nanosheet cooperated with Fe/Fe3C@Fe-N-C nanocomposites toward catalytic oxidation process.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2022.109204]

2. Chunxia Zhu, Yang Liu, Xiaojun Ji, Yaxuan Si, Xianhao Tao, Xiaohua Zhang, Lifang Yin.  (2024)  Enhanced Antitumor Efficacy of Cytarabine and Idarubicin in Acute Myeloid Leukemia Using Liposomal Formulation: In Vitro and In Vivo Studies.  Pharmaceutics,  16  (9): (1220).  [PMID:39339256] [10.3390/pharmaceutics16091220]

3. Ze Li, Tianfeng Ma, Zhen Feng, Haiyan Wang, Shuling Liu, Yanyan Liu, Hucheng Zhang, Jianji Wang, Baojun Li.  (2026)  N-doped CoFe alloy coupled to hierarchical carbon as 3D catalysts for synergistic reversible oxygen electrocatalysis in Zn-air batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173982]